3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide

Name: 3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₇H₂₂FN₃O — CID 164589775

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide

SMILESNC(=O)c1cccc(Nc2ccc(-c3cccc(F)c3)cn2)c1C1(c2ccccc2)CC1

InChIInChI=1S/C27H22FN3O/c28-21-9-4-6-18(16-21)19-12-13-24(30-17-19)31-23-11-5-10-22(26(29)32)25(23)27(14-15-27)20-7-2-1-3-8-20/h1-13,16-17H,14-15H2,(H2,29,32)(H,30,31)

InChIKeyBUBNQONGZCTIFF-UHFFFAOYSA-N

MW423.49 g/mol

LogP5.81

Rot. Bonds6

About 3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide

3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide (PubChem CID 164589775) has the molecular formula C₂₇H₂₂FN₃O and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide.

Molecular Properties

Compound Name	3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide
PubChem CID	164589775
Molecular Formula	C₂₇H₂₂FN₃O
Molecular Weight	423.49 g/mol
Exact Mass	423.17
IUPAC Name	3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide
SMILES	NC(=O)c1cccc(Nc2ccc(-c3cccc(F)c3)cn2)c1C1(c2ccccc2)CC1
InChI	InChI=1S/C27H22FN3O/c28-21-9-4-6-18(16-21)19-12-13-24(30-17-19)31-23-11-5-10-22(26(29)32)25(23)27(14-15-27)20-7-2-1-3-8-20/h1-13,16-17H,14-15H2,(H2,29,32)(H,30,31)
InChIKey	BUBNQONGZCTIFF-UHFFFAOYSA-N
XLogP	5.81
TPSA	68.01 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.49
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide?

The IUPAC name of 3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide (CID 164589775) is 3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide.

What is the SMILES notation for 3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide?

The canonical SMILES for 3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide is NC(=O)c1cccc(Nc2ccc(-c3cccc(F)c3)cn2)c1C1(c2ccccc2)CC1.

What is the InChIKey of 3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide?

The InChIKey is BUBNQONGZCTIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN3O/c28-21-9-4-6-18(16-21)19-12-13-24(30-17-19)31-23-11-5-10-22(26(29)32)25(23)27(14-15-27)20-7-2-1-3-8-20/h1-13,16-17H,14-15H2,(H2,29,32)(H,30,31).

What are the key properties of 3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide?

3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide has a molecular weight of 423.49 g/mol, XLogP of 5.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-2-(1-phenylcyclopropyl)benzamide is sourced from PubChem (CID 164589775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 164589775 — identifiers, structure, computed properties (public domain)

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